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Photoemission orbital tomography (POT) is a powerful tool for investigating the orbitals and electronic band structure of oriented layers of organic molecules. In many cases, POT allows conclusions to be drawn regarding the geometric…
Bond-order potentials (BOPs) provide a local and physically transparent description of the interatomic interaction. Here we describe the efficient implementation of analytic BOPs in the BOPfox program and library. We discuss the integration…
Bloch oscillations (BOs), i.e. the oscillatory motion of a quantum particle in a periodic potential, are one of the most striking effects of coherent quantum transport in the matter. In the semiclassical picture, it is well known that BOs…
A general scenario for electronic charge migration in finite samples illuminated by an intense laser pulse is given. Microscopic calculations for neon clusters under strong short pulses as produced by X-ray free-electron laser sources…
The electron-hole states of semiconductor quantum dots are investigated within the framework of empirical tight-binding descriptions for Si, as an example of an indirect gap material, and InAs and CdSe as examples of typical III-V and II-VI…
This article explores the motion of massive particles in the gravitational field of a modified gravity (MOG) black hole (BH), characterized by the parameter $\alpha$. Using the Hamiltonian formalism, the geodesic equations and the effective…
The paper presents results and discussion of electron dynamics in molecules in which intense ultrafast pulse drives multiphoton ionization, high harmonic generation, and charge resonance due to the Rabbi flopping in the regime of Charge…
Motivated by the recently renewed interest in the superconducting bismuth perovskites, we investigate the electronic structure of the parent compounds ABiO$_{3}$ (A= Sr, Ba) using $ab$ $initio$ methods and tight-binding (TB) modeling. We…
Interatomic hopping mediated by spin-orbit coupling (SOC) entangles spin, orbital and sublattice degrees of freedom of electrons, leading to the emergence of intriguing phenomena such as novel topological insulators and exotic…
Holes confined in semiconductor nanostructures realize qubits where the quantum mechanical spin is strongly mixed with the quantum orbital angular momentum. The remarkable spin-orbit coupling allows for fast all electrical manipulation of…
A model of localized classical electrons coupled to lattice degrees of freedom and, via the Coulomb interaction, to each other, has been studied to gain insight into the charge and orbital ordering observed in lightly doped manganese…
Hydrogen bonds are typically treated as sufficiently localized directional intermolecular bonds, in which dispersion and electrostatic contributions can be distinguished. However, being formed chiefly due to the overlapping of p orbitals of…
We study the dynamics of photo-induced charge carriers in realistic models of LaVO3 and YTiO3 polar heterostructures. It is shown that two types of impact ionization processes contribute to the carrier multiplication in these strongly…
The population of binary black hole (BBH) mergers observed by the LIGO-Virgo-KAGRA (LVK) collaboration offers a window into the cosmic evolution of compact binaries and their formation. We employ the semi-analytic population-synthesis code…
HF QPOs are among the most intriguing phenomena observed in LMXBs containing BHs or neutron stars. In this work, we investigate charged particles' dynamics in the nearby of a Schwarzschild-like BH embedded in a uniform magnetic field and…
The growing number of black hole binary (BHB) mergers detected by the Laser Interferometer Gravitational-Wave Observatory (LIGO) have the potential to enable an unprecedented characterization of the physical processes and astrophysical…
The dynamical evolution of binaries of intermediate-massive black holes (IMBHs, massive black holes with a mass ranging between $10^2$ and $10^4 M_{\odot}$) in stellar clusters has recently received an increasing amount of attention. This…
Electronic structure of strongly correlated transition metal oxides (TMOs) is a complex phenomenon due to competing interaction among the charge, spin, orbital and lattice degrees of freedom. Often individual compounds are examined to…
The energy landscape approach has been useful to help understand the dynamic properties of supercooled liquids and the connection between these properties and thermodynamics. The analysis in numerical models of the inherent structure (IS)…
Many-body localization (MBL) is understood theoretically through the existence of an extensive number of local integrals of motion (LIOMs). These conserved quantities are related to the microscopic quantum degrees of freedom that are…